CID 3808120

3-fluoro-4-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4FNO3
SMILES
C1=CC(=C(C=C1C=O)F)[N+](=O)[O-]
InChI
InChI=1S/C7H4FNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-4H
InChIKey
BWUIGISQVCIQBT-UHFFFAOYSA-N
Compound name
3-fluoro-4-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

169.01752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02480 127.6
[M+Na]+ 192.00674 140.9
[M+NH4]+ 187.05134 135.3
[M+K]+ 207.98068 137.7
[M-H]- 168.01024 129.3
[M+Na-2H]- 189.99219 134.0
[M]+ 169.01697 129.7
[M]- 169.01807 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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